Chemical ID: 4388100

COc1ccc(cc1F)c2csc(n2)c3ccccc3
Chemical ID:
4388100
Name [?]:
4-(3-fluoro-4-methoxy-phenyl)-2-phenyl-thiazole
SMILES [?]:
COc1ccc(cc1F)c2csc(n2)c3ccccc3
InChi [?]:
InChI=1/C16H12FNOS/c1-19-15-8-7-12(9-13(15)17)14-10-20-16(18-14)11-5-3-2-4-6-11/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,16,20,5,4,7,11,15,6,8,10,3,13,9,14,2,12/E:(3,4)(5,6)/rA:20nCOCCCCCCFCCSCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s11;s12;s10d13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12FNOS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.03736
Area:469.11
Solvation:-3.6904
Coulombic:-19.2688
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:285.337
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.47
LogP (Chemaxon):4.66

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Descriptor Annotations

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